Why temperature drop down when liquid argon change to be vapor? and saturation temperature turns to be 110K around under 1atm?
It seems temperature response a little bit slower than volume expansion.
See Scripts below, thank you for your attention.
dimension 3
boundary p p p
units metal
communicate single vel yes
atom_style atomic
neighbor 2.0 bin
neigh_modify every 20 delay 0 check yes
lattice fcc 5.74
region rec block 0 10 0 10 0 10 #23.68 0 23.68 0 23.68 #0 20 0 20 0 20
create_box 2 rec
create_atoms 1 box
mass 1 39.95
mass 2 39.95
pair_style lj/cut 9.5
pair_coeff * * 1.04e-2 3.405 9.5
velocity all create 85.0 482748 #83.8K melting 87.3 boiling
minimize 1.0e-4 1.0e-6 100 1000
fix 4 all npt temp 85.0 85.0 0.02 iso 0.0 0.0 0.08 tchain 10 pchain 10 mtk yes tloop 10 ploop 10 drag 2.0 # 0.002388 0.002388 0.01 drag 2.0
timestep 0.001
thermo 100
dump 1 all atom 5000 atom.lj
run 100000
unfix 4
undump 1
fix 5 all npt temp 85.0 180.0 0.08 iso 0.0 0.0 0.080 tchain 10 pchain 10 mtk yes tloop 10 ploop 100 drag 2.0
timestep 0.001
thermo 10
dump 2 all atom 5000 TEST.metal
run 200000
Sincerely, yours
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Mechanical & Aerospace Engineering,
College of Engineering,
University of Missouri - Columbia